Compound Detail
CHEMBL1215739
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Basic Information
| ChEMBL ID | CHEMBL1215739 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WBHQYBZRTAEHRR-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
340.5
MW (Da)
5.39
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.57
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone acetyltransferase KAT8 CHEMBL1932912 | IC50 | 4.82 | 4.6025 | 15000.0 | 4 |
| Histone acetyltransferase p300 CHEMBL3784 | IC50 | 4.65 | 4.65 | 22300.0 | 1 |
| Histone acetyltransferase KAT5 CHEMBL5750 | IC50 | 4.13 | 4.13 | 74000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone acetyltransferase KAT8 | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of human His-tagged MOF using histone H4 substrate by radioactive ace... | 30145373 |
| Histone acetyltransferase KAT8 | IC50 | = | 20300.0 | nM | 4.69 | Inhibition of N-terminal 6His tagged KAT8 (173 to 458 residues) (unknown origin)... | 37155735 |
| Histone acetyltransferase p300 | IC50 | = | 22300.0 | nM | 4.65 | Inhibition of recombinant human KAT3B (1287 to 1673 residues) using histone H3 p... | 37155735 |
| Histone acetyltransferase KAT8 | IC50 | = | 27000.0 | nM | 4.57 | Inhibition of human His-tagged MOF preincubated for 10 mins followed by biotin-l... | 30145373 |
| Histone acetyltransferase KAT8 | IC50 | = | 47000.0 | nM | 4.33 | Inhibition of human MOF expressed in Escherichia coli BL21(DE3) cells using [14C... | 22100137 |
| Histone acetyltransferase KAT5 | IC50 | = | 74000.0 | nM | 4.13 | Inhibition of human recombinant His-tagged Tip60 expressed in Escherichia coli B... | 22100137 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22100137 | 10.1016/j.ejmech.2011.11.001 | Histone acetyltransferase KAT5 | 11 |
| 30145373 | 10.1016/j.ejmech.2018.08.026 | Histone acetyltransferase KAT8 | 4 |
| 33691794 | 10.1186/s13148-021-01037-1 | A549 | 4 |
| 22100137 | 10.1016/j.ejmech.2011.11.001 | Histone acetyltransferase KAT2B | 2 |
| 22100137 | 10.1016/j.ejmech.2011.11.001 | Histone acetyltransferase p300 | 2 |
| 22789707 | 10.1016/j.bmc.2012.06.019 | Probable linoleate 9S-lipoxygenase 5 | 2 |
| 20655754 | 10.1016/j.bmc.2010.06.089 | Histone acetyltransferase KAT2B | 1 |
| 22100137 | 10.1016/j.ejmech.2011.11.001 | Histone acetyltransferase KAT8 | 1 |
| 24231650 | 10.1016/j.bmc.2013.10.015 | Prostaglandin G/H synthase 2 | 1 |
| 30145373 | 10.1016/j.ejmech.2018.08.026 | HCT-116 | 1 |
| 37155735 | 10.1021/acs.jmedchem.2c01937 | Histone acetyltransferase KAT8 | 1 |
| 37155735 | 10.1021/acs.jmedchem.2c01937 | Histone acetyltransferase p300 | 1 |
| 37155735 | 10.1021/acs.jmedchem.2c01937 | Histone acetyltransferase KAT2B | 1 |
Data from ChEMBL 36 via Core Engine